Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T63068 | Target Info | |||
| Target Name | Serum albumin (ALB) | ||||
| Synonyms | Serum albumin | ||||
| Target Type | Successful Target | ||||
| Gene Name | ALB | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Halothane | Ligand Info | |||
| Canonical SMILES | C(C(F)(F)F)(Cl)Br | ||||
| InChI | 1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H | ||||
| InChIKey | BCQZXOMGPXTTIC-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 3562 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1E7B Crystal structure of human serum albumin complexed with the general anesthetic halothane | ||||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [1] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
|
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|
ARG209
3.079
ALA210
4.719
LYS212
3.932
ALA213
3.704
VAL216
4.270
ASP324
3.264
LEU327
3.815
GLY328
3.064
LEU331
4.173
LEU347
3.867
ALA350
3.270
LYS351
3.913
GLU354
3.170
|
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| PDB ID: 1E7C HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID and the general anesthetic halothane | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
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|
|
GLU17
4.829
ALA21
3.780
ALA26
4.046
TYR30
3.660
LEU66
3.747
HIS67
3.772
PHE70
2.850
ASN99
3.928
LEU135
3.719
LYS136
2.955
LEU139
3.765
LEU155
3.841
ALA158
3.850
LYS159
3.369
LYS162
4.021
LYS199
4.949
ARG209
2.746
ALA210
4.320
LYS212
3.707
ALA213
3.894
TRP214
4.821
VAL216
2.573
ARG218
3.703
LEU219
4.091
ARG222
3.057
PHE223
4.771
PHE228
2.908
VAL231
4.450
SER232
2.834
VAL235
3.929
THR236
4.204
LEU238
3.367
VAL241
4.894
ASP249
3.861
LEU250
3.831
LEU251
2.753
ARG257
3.566
LEU260
3.511
ALA261
4.114
ILE264
3.591
SER287
4.171
ILE290
3.149
ALA291
3.734
ASP324
2.747
VAL325
4.119
LEU327
4.137
GLY328
3.567
LEU331
4.315
LEU347
3.180
ALA350
3.870
LYS351
3.704
GLU354
3.858
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Binding of the general anesthetics propofol and halothane to human serum albumin. High resolution crystal structures. J Biol Chem. 2000 Dec 8;275(49):38731-8. | ||||
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